Hydrogen-bonding interaction in a complex of amino acid with urea studied by DFT calculations

Structural Chemistry

Volumn 20, Issue 2, 2009, Pages 213-220

  Sun, Yu Ping ^a,b   Ren, Xiao Hui ^a,b   Wang, Hai Jun ^a   Shan, Yan Yan ^a,b   Xing, Li Juan ^a,b  

^a JIANGNAN UNIVERSITY   (China)

^b HEBEI UNIVERSITY OF ENGINEERING   (China)

Author keywords

AIM; Amino acids; Amino hydrogen bonds; Binding energy; Chelpg; Urea

Indexed keywords

EID: 64149091886     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-009-9416-1     Document Type: Article

References (28)

1. J Grdadolnik Y Marechal 2002 J Mol Struct 615 177 189 10.1016/S0022-2860(02)00214-4
2. RD Mountain D Thirumalai 2003 J Am Chem Soc 125 1950 1957 10.1021/ja020496f
3. DK Klimov JE Straub D Thirumalai 2004 Proc Natl Acad Sci USA 101 14760 14765 10.1073/pnas.0404570101
4. R Chitra PE Smith 2002 J Phys Chem B 106 1491 1500 10.1021/jp011462h
5. A Caballero-Herrera K Nordstrand KD Berndt L Nilsson 2005 Biophys J 89 842 857 10.1529/biophysj.105.061978
6. C Oostenbrink WF van Gunsteren 2005 Phys Chem Chem Phys 7 53 58 10.1039/b413167c
7. ME Lee NFA van der Vegt 2006 J Am Chem Soc 128 4948 4949 10.1021/ja058600r
8. EP O'Brien RI Dima B Brooks D Thirumalai 2007 J Am Chem Soc 129 7346 7353 10.1021/ja069232+
9. ES Courtenay MW Capp TMJ Record 2001 Protein Sci 10 2485 2497 10.1110/ps.ps.20801
10. M Auton WD Bolen 2005 Proc Natl Acad Sci USA 102 15065 15068 10.1073/pnas.0507053102
11. A Moglich F Krieger T Kiefhaber 2005 J Mol Biol 345 153 162 10.1016/j.jmb.2004.10.036
12. BJ Bennion V Daggett 2003 Proc Natl Acad Sci USA 100 5142 5147 10.1073/pnas.0930122100
13. J Tsai M Gerstein MJ Levitt 1996 Chem Phys 104 9417 9430
14. Q Zou SM Habermann-Rottinghaus KP Murphy 1998 Proteins 31 107 115 10.1002/(SICI)1097-0134(19980501)31:2<107::AID-PROT1>3.0.CO;2-J
15. M Ikeguchi S Nakamura K Shimizu 2001 J Am Chem Soc 123 677 682 10.1021/ja002064f
16. SN Timasheff G Xie 2003 Biophys Chem 105 421 448 10.1016/S0301-4622(03) 00106-6
17. B Massimo B Laura De EG David F Luigi L Maurizio M Enrico 2004 J Am Chem Soc 126 16507 16514 10.1021/ja045936c
18. CS Martin G Helmut 2007 J Am Chem Soc 129 16126 16131 10.1021/ja076216j
19. T Dror E Ron T Devarajan 2003 Biopolymers 68 359 369 10.1002/bip.10290
20. B Fuqiang NR Kathryn WG James JB Russell 2002 Theor Chem Acc 108 1 11 10.1007/s00214-002-0344-z
21. AL Magalhaes SRRS Madail MJ Ramos 2000 Theor Chem Acc 105 68 76 10.1007/s002140000187
22. PF Loos X Assfeld JL Rivail 2007 Theor Chem Acc 118 165 171 10.1007/s00214-007-0258-x
23. Biegler-Konig F, Bader RF (2002) AIM 2000, Version 2
24. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2003) Gaussian03, Gaussian, Int, Pittsburgh, PA
25. B Uwe 2003 Prog Polym Sci 28 1049 1105 10.1016/S0079-6700(02)00150-8
26. PA Robert B Maria LP Sarah 1997 J Comput Aided Mol Des 11 479 490 10.1023/A:1007923124523
27. Bader RFW (1990) Atom in molecules: a quantum theory. International series of monographs in chemistry. Oxford University Press, Oxford
28. RFW Bader 1998 J Phys Chem A 102 7314 10.1021/jp981794v